(E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene

C11H19O3P — CID 11009764

IUPAC(E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene
SMILESC=CCP(=O)(OC/C=C/C)OC/C=C/C
InChIInChI=1S/C11H19O3P/c1-4-7-9-13-15(12,11-6-3)14-10-8-5-2/h4-8H,3,9-11H2,1-2H3/b7-4+,8-5+
InChIKeyPDVMNPQDHFWWNL-NSLJXJERSA-N
MW230.24 g/mol
LogP3.55
Rot. Bonds8

About (E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene

(E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene (PubChem CID 11009764) has the molecular formula C11H19O3P and a molecular weight of 230.24 g/mol. Its IUPAC name is (E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene.

Molecular Properties

Compound Name(E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene
PubChem CID11009764
Molecular FormulaC11H19O3P
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name(E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene
SMILESC=CCP(=O)(OC/C=C/C)OC/C=C/C
InChIInChI=1S/C11H19O3P/c1-4-7-9-13-15(12,11-6-3)14-10-8-5-2/h4-8H,3,9-11H2,1-2H3/b7-4+,8-5+
InChIKeyPDVMNPQDHFWWNL-NSLJXJERSA-N
XLogP3.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene?
The IUPAC name of (E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene (CID 11009764) is (E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene.
What is the SMILES notation for (E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene?
The canonical SMILES for (E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene is C=CCP(=O)(OC/C=C/C)OC/C=C/C.
What is the InChIKey of (E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene?
The InChIKey is PDVMNPQDHFWWNL-NSLJXJERSA-N. The full InChI is InChI=1S/C11H19O3P/c1-4-7-9-13-15(12,11-6-3)14-10-8-5-2/h4-8H,3,9-11H2,1-2H3/b7-4+,8-5+.
What are the key properties of (E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene?
(E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene has a molecular weight of 230.24 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[[(E)-but-2-enoxy]-prop-2-enylphosphoryl]oxybut-2-ene is sourced from PubChem (CID 11009764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).